N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide

C17H15ClN4O4S2 — CID 53126338

IUPACN-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
SMILESO=C(c1nc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3)c2)no1)N1CCCC1
InChIInChI=1S/C17H15ClN4O4S2/c18-12-4-3-5-13(9-12)21-28(24,25)14-8-11(10-27-14)15-19-16(26-20-15)17(23)22-6-1-2-7-22/h3-5,8-10,21H,1-2,6-7H2
InChIKeyJTGDEHPXPNHFCU-UHFFFAOYSA-N
MW438.92 g/mol
LogP3.49
Rot. Bonds5

About N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide

N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide (PubChem CID 53126338) has the molecular formula C17H15ClN4O4S2 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
PubChem CID53126338
Molecular FormulaC17H15ClN4O4S2
Molecular Weight438.92 g/mol
Exact Mass438.02
IUPAC NameN-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
SMILESO=C(c1nc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3)c2)no1)N1CCCC1
InChIInChI=1S/C17H15ClN4O4S2/c18-12-4-3-5-13(9-12)21-28(24,25)14-8-11(10-27-14)15-19-16(26-20-15)17(23)22-6-1-2-7-22/h3-5,8-10,21H,1-2,6-7H2
InChIKeyJTGDEHPXPNHFCU-UHFFFAOYSA-N
XLogP3.49
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126387
N-(2-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126357
N-(3-chlorophenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 53126502
N-(2,3-dimethylphenyl)-4-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126447
N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126332
N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126413
N-(2-chloro-4-methylphenyl)-4-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126466
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 53205151
N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127440
N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127489
N-(3-chloro-4-methylphenyl)-2-methyl-5-[5-(piperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53205011

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide (CID 53126338) is N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide is O=C(c1nc(-c2csc(S(=O)(=O)Nc3cccc(Cl)c3)c2)no1)N1CCCC1.
What is the InChIKey of N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is JTGDEHPXPNHFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4S2/c18-12-4-3-5-13(9-12)21-28(24,25)14-8-11(10-27-14)15-19-16(26-20-15)17(23)22-6-1-2-7-22/h3-5,8-10,21H,1-2,6-7H2.
What are the key properties of N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide?
N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 438.92 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53126338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).